N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide

C15H15F3N2OS — CID 7222728

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1nc(C)c(CCNC(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H15F3N2OS/c1-9-13(22-10(2)20-9)7-8-19-14(21)11-3-5-12(6-4-11)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,21)
InChIKeySCTMIHIRYFJMEO-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.75
Rot. Bonds4

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 7222728) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID7222728
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1nc(C)c(CCNC(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H15F3N2OS/c1-9-13(22-10(2)20-9)7-8-19-14(21)11-3-5-12(6-4-11)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,21)
InChIKeySCTMIHIRYFJMEO-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 7222728) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide is Cc1nc(C)c(CCNC(=O)c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is SCTMIHIRYFJMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c1-9-13(22-10(2)20-9)7-8-19-14(21)11-3-5-12(6-4-11)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 328.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 7222728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).